Geometry & MOs

Info

ID:	438717
PubChem CID:	135228468
Reduced:	SO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	-41.48
Dipole, Da:	6.64
IP(EA), eV:	-10.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-2,4-dimethyl-N-(1-methyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1S(=O)(=O)CC)C)C(=O)NC2=NN=NN2C

DOS

IR

Vibrations